Peptide-Bismuth Tricycles: Maximizing Stability by Constraint.

Constrained peptides possess excellent properties for identifying lead compounds in drug discovery. While it has become increasingly straightforward to discover selective high-affinity peptide ligands, especially through genetically encoded libraries, their stability and bioavailability remain significant challenges. By integrating macrocyclization chemistry with bismuth binding, we generated series of linear, cyclic, bicyclic, and tricyclic peptides with identical sequences.

COX-2 Inhibitor Prediction With KNIME: A Codeless Automated Machine Learning-Based Virtual Screening Workflow.

Cyclooxygenase-2 (COX-2) is an enzyme that plays a crucial role in inflammation by converting arachidonic acid into prostaglandins. The overexpression of enzyme is associated with conditions such as cancer, arthritis, and Alzheimer's disease (AD), where it contributes to neuroinflammation. In silico virtual screening is pivotal in early-stage drug discovery; however, the absence of coding or machine learning expertise can impede the development of reliable computational models capable of accurately predicting inhibitor compounds based on their chemical structure.

A comparison of demographic profiles, clinical profile, course, and outcome of Bipolar I Disorder and Bipolar II Disorder: Findings from the Bipolar Disorder Course and Outcome study from India (BiD-CoIN study).

Background: There is lack of data on bipolar disorder (BD) type II from India.

Aim: To compare the demographic and clinical characteristics of patients with BD-I and BD-II using the data of the Bipolar Disorder Course and Outcome study from India (BiD-CoIN study).

Methodology: Using the data of the BiD-CoIN study, patients with BD-I and BD-II were compared for demographic and clinical variables.

RNA control of reverse transcription in a diversity-generating retroelement.

Diversity-generating retroelements (DGRs) create massive protein sequence variation (up to 10) in ecologically diverse microorganisms. A recent survey identified around 31,000 DGRs from more than 1,500 bacterial and archaeal genera, constituting more than 90 environment types. DGRs are especially enriched in the human gut microbiome and nano-sized microorganisms that seem to comprise most microbial life and maintain DGRs despite reduced genomes.

CORTADO: Hill Climbing Optimization for Cell-Type Specific Marker Gene Discovery.

The advent of single-cell RNA sequencing (scRNA-seq) has greatly enhanced our ability to explore cellular heterogeneity with high resolution. Identifying subpopulations of cells and their associated molecular markers is crucial in understanding their distinct roles in tissues. To address the challenges in marker gene selection, we introduce CORTADO, a computational framework based on hill-climbing optimization for the efficient discovery of cell-type-specific markers.